UCSF

ZINC42783299

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.49 2.84 -37.31 2 2 1 20 169.292 1
Hi High (pH 8-9.5) 1.49 3.46 -28.77 2 2 1 16 169.292 1
Hi High (pH 8-9.5) 1.49 1.41 -0.67 1 2 0 15 168.284 1
Lo Low (pH 4.5-6) 1.49 4.91 -103.58 3 2 2 21 170.3 1

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )